N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine

C6H8FN — CID 122647093

IUPACN-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C\F
InChIInChI=1S/C6H8FN/c1-2-8-6-4-3-5-7/h2-6H,1H3/b5-3+,6-4-,8-2+
InChIKeyXZIHZZUDKZUJMR-YEMSMFNCSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine

N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine (PubChem CID 122647093) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine
PubChem CID122647093
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC NameN-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C\F
InChIInChI=1S/C6H8FN/c1-2-8-6-4-3-5-7/h2-6H,1H3/b5-3+,6-4-,8-2+
InChIKeyXZIHZZUDKZUJMR-YEMSMFNCSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine (CID 122647093) is N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine is C/C=N/C=C\C=C\F.
What is the InChIKey of N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine?
The InChIKey is XZIHZZUDKZUJMR-YEMSMFNCSA-N. The full InChI is InChI=1S/C6H8FN/c1-2-8-6-4-3-5-7/h2-6H,1H3/b5-3+,6-4-,8-2+.
What are the key properties of N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine?
N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 122647093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).